Project ID: plumID:20.023
Name: metadynminer and metadynminer3d
Archive: https://github.com/spiwokv/metadynminerdata/raw/master/all.zip
Category: methods
Keywords: metadynamics, visualization, R
PLUMED version: 2.4
Contributor: Vojtech Spiwok
Submitted on: 21 Aug 2020
Last revised: 18 Jan 2022
Publication: D. Trapl, V. Spiwok, Analysis of the Results of Metadynamics Simulations by metadynminer and metadynminer3d. The R Journal. 14, 46–58 (2022)
PLUMED input files
| File | Compatible with |
|---|---|
| 1D/plumed.dat |   |
| 2D/plumed.dat | |
| 3D/plumed.dat | |
Last tested: 26 Jan 2024, 15:31:58
Project description and instructions
Metadynminer and metadynminer3d are R packages for analysis and visualization of metadynamics results. It calculates and plots free energy surfaces, finds minima, evolution of relative free energy, nudged elastic band etc. Here we submit sample data (1D, 2D and 3D free energy surfaces of alanine dipeptide).
Submission history
[v1] 21 Aug 2020: original submission
[v2] 18 Jan 2022: updated doi
Badge
Click on the image below and get the code to add the badge to your website!
